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“Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus”. Çakir D, Sevik C, Peeters FM, Physical review : B : condensed matter and materials physics 92, 165406 (2015). http://doi.org/10.1103/PhysRevB.92.165406
Abstract: The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the framework of density functional theory. We find that inclusion of many-body effects (i.e., electron-electron and electron-hole interactions) modifies strongly both the electronic and optical properties of black phosphorus. While trilayer black phosphorus with a particular stacking type is found to be a metal by using semilocal functionals, it is predicted to have an electronic band gap of 0.82 eV when many-body effects are taken into account within the G(0)W(0) scheme. Though different stacking types result in similar energetics, the size of the band gap and the optical response of bilayer and trilayer phosphorene are very sensitive to the number of layers and the stacking type. Regardless of the number of layers and the type of stacking, bilayer and trilayer black phosphorus are direct band gap semiconductors whose band gaps vary within a range of 0.3 eV. Stacking arrangements that are different from the ground state structure in both bilayer and trilayer black phosphorus exhibit significant modified valence bands along the zigzag direction and result in larger hole effective masses. The optical gap of bilayer (trilayer) black phosphorus varies by 0.4 (0.6) eV when changing the stacking type. The calculated binding energy of the bound exciton hardly changes with the type of stacking and is found to be 0.44 (0.30) eV for bilayer (trilayer) phosphorous.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 127
DOI: 10.1103/PhysRevB.92.165406
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“Spin- and valley-dependent transport through arrays of ferromagnetic silicene junctions”. Missault N, Vasilopoulos P, Vargiamidis V, Peeters FM, Van Duppen B, Physical review : B : condensed matter and materials physics 92, 195423 (2015). http://doi.org/10.1103/PhysRevB.92.195423
Abstract: We study ballistic transport of Dirac fermions in silicene through arrays of barriers, of width d, in the presence of an exchange field M and a tunable potential of height U or depth-U. The spin-and valley-resolved conductances as functions of U or M, exhibit resonances away from the Dirac point (DP) and close to it a pronounced dip that becomes a gap when a critical electric field E-z is applied. This gap widens by increasing the number of barriers and can be used to realize electric field-controlled switching of the current. The spin p(s) and valley p(v) polarizations of the current near the DP increase with Ez or M and can reach 100% for certain of their values. These field ranges widen significantly by increasing the number of barriers. Also, ps and pv oscillate nearly periodically with the separation between barriers or wells and can be inverted by reversing M.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 54
DOI: 10.1103/PhysRevB.92.195423
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“Structural and phononic characteristics of nitrogenated holey graphene”. Sahin H, Physical review : B : condensed matter and materials physics 92, 085421 (2015). http://doi.org/10.1103/PhysRevB.92.085421
Abstract: Recent experimental studies showed that formation of a two-dimensional crystal structure of nitrogenated holey graphene (NHG) is possible. Similar to graphene, NHGs have an atomically thin and strong crystal structure. Using first-principles calculations, we investigate the structural, phononic, and thermal properties of monolayer NHG crystal. Our charge analysis reveals that the charged holey sites of NHG provide a reactive ground for further functionalization by adatoms or molecules. We also found that similar to graphene, the NHG structure has quite high-frequency phonon modes and the presence of nitrogen atoms leads to the emergence of additional vibrational modes. Our phonon analysis reveals the presence of three characteristic Raman-active modes of NHG. Furthermore, the analysis of constant-volume heat capacity showed that the NHG structure has a linear temperature dependence in the low-temperature region. The strong lattice structure and unique thermal properties of the NHG crystal structure are desirable in nanoscale device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 49
DOI: 10.1103/PhysRevB.92.085421
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“TiS3 nanoribbons : width-independent band gap and strain-tunable electronic properties”. Kang J, Sahin H, Ozaydin HD, Senger RT, Peeters FM, Physical review : B : condensed matter and materials physics 92, 075413 (2015). http://doi.org/10.1103/PhysRevB.92.075413
Abstract: The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 10(3) cm(2) V-1 s(-1). The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 55
DOI: 10.1103/PhysRevB.92.075413
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“Theory of anharmonic phonons in two-dimensional crystals”. Michel KH, Costamagna, Peeters FM, Physical review : B : condensed matter and materials physics 91, 134302 (2015). http://doi.org/10.1103/PhysRevB.91.134302
Abstract: Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 38
DOI: 10.1103/PhysRevB.91.134302
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“Tuning the magnetic anisotropy in single-layer crystal structures”. Torun E, Sahin H, Bacaksiz C, Senger RT, Peeters FM, Physical review : B : condensed matter and materials physics 92, 104407 (2015). http://doi.org/10.1103/PhysRevB.92.104407
Abstract: The effect of an applied electric field and the effect of charging are investigated on themagnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and MoTe2 using first-principles calculations. We found that themagnetocrystalline anisotropy energy of Co-on-graphene and Os-doped-MoTe2 systems change linearly with electric field, opening the possibility of electric field tuningMAof these compounds. In addition, charging can rotate the easy-axis direction ofCo-on-graphene andOs-doped-MoTe2 systems from the out-of-plane (in-plane) to in-plane (out-of-plane) direction. The tunable MA of the studied materials is crucial for nanoscale electronic technologies such as data storage and spintronics devices. Our results show that controlling the MA of the mentioned 2D crystal structures can be realized in various ways, and this can lead to the emergence of a wide range of potential applications where the tuning and switching of magnetic functionalities are important.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 37
DOI: 10.1103/PhysRevB.92.104407
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“Decomposition of a metastable bcc phase in rapidly solidified Ni-9 at.% Zr and Ni-8 at.%X alloys”. Chandrasekaran M, Ghosh G, Schryvers D, de Graef M, Delaey L, Van Tendeloo G, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 75, 677 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 5
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“'Disordered' Ba(Mg1/3Ta2/3)O3 and its ordering transition”. Lei CH, Amelinckx S, Van Tendeloo G, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 82, 2321 (2002). http://doi.org/10.1080/01418610210138969
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 5
DOI: 10.1080/01418610210138969
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“Do smaller probes in a scanning transmission electron microscope result in more precise measurement of the distances between atom columns?”.Van Aert S, van Dyck D, Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties 81, 1833 (2001). http://doi.org/10.1080/13642810108223121
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Times cited: 11
DOI: 10.1080/13642810108223121
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“Electron microscopy investigation of ternary \gamma-brass-type precipitation in a Ni39.6Mn47.5Ti12.9 alloy”. Seo JW, Schryvers D, Vermeulen W, Richard O, Potapov P, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 79, 1279 (1999). http://doi.org/10.1080/01418619908210361
Abstract: Homogenized Ni39.6Mn47.5T12.9 material was investigated by different electron microscopy techniques. Apart from the martensite precursor distortions typical for B2 phase alloys undergoing a thermoelastic martensitic transformation upon cooling, coherent dodecahedron-shaped precipitates with sizes between 20 and 100 nm and faceted by lozenge shapes of {110}-type planes are observed. Selected-area and microdiffraction patterns reveal an overall unit cell with a size of 3 x 3 x 3 units of the bcc lattice of the matrix and a body-centred symmetry without screw axes. Finally a ternary gamma-brass-type atomic structure of space group 14(3) over bar m is suggested for these precipitates in accordance with the obtained symmetry constraints, the energy-dispersive X-ray measurements and high-resolution transmission electron microscopy images. This is the first time this type of structure is found in an alloy completely consisting of transition-metal elements.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Times cited: 3
DOI: 10.1080/01418619908210361
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“EM investigation of precursors and precipitation in a Ni39.6Mn47.5Ti12.9 alloy”. Seo JW, Schryvers D, Vermeulen W, Richard O, Potapov P, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 79, 1279 (1999)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 3
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“High-resolution electron microscopy study of strained epitaxial La0.7Sr0.3MnO3 thin films”. Lebedev OI, Van Tendeloo G, Amelinckx S, Ju HL, Krishnan KM, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 80, 673 (2000). http://doi.org/10.1080/01418610008212075
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 52
DOI: 10.1080/01418610008212075
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“The microstructure of ordered Ba(Mg1/3Ta2/3)O3”. Lei CH, Van Tendeloo G, Amelinckx S, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 82, 349 (2002). http://doi.org/10.1080/01418610110068076
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 8
DOI: 10.1080/01418610110068076
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“'Natural' and 'man-made' platelets in type-la diamonds”. Kiflawi I, Bruley J, Luyten W, Van Tendeloo G, Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties 78, 299 (1998). http://doi.org/10.1080/13642819808205733
Abstract: 'Natural' platelets are planar defects in {001} planes found in natural type-IaA/B diamonds. 'Man-made' platelets are platelets formed in the laboratory by annealing type-IaA diamonds at temperatures over 2500 degrees C. Careful study shows that the infrared (IR) spectra of the 'man-made' platelets are different from the IR spectra of 'natural' platelets. High-temperature (T greater than or equal to 2000 degrees C) annealing of platelets containing type-IaA/B diamonds modifies the IR absorption spectrum owing to the 'natural' platelets and makes it similar to the IR spectrum of the 'man-made' platelets. It is suggested that such high-temperature annealing changes the structure of the 'natural' platelets. The changes are too subtle to be detected by electron microscopy techniques. Topographic electron-energy-loss spectroscopy shows that platelets contain nitrogen at an average density of 0.7 atoms per a(0)(2); however, high-temperature annealing does not seem to affect the concentration of the nitrogen in the platelets.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 13
DOI: 10.1080/13642819808205733
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“On the mechanism of {111}-defect formation in silicon studies by in situ electrin irradiation in a high resolution electron microscope”. Fedina L, Gutakovskii A, Aseev A, van Landuyt J, Vanhellemont J, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 77, 423 (1998)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 23
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“Orientational mode coupling, diffuse scattering, and the order-disorder phase transition in solid C60”. Michel KH, Copley JRD, Zeitschrift für Physik: B: condensed matter and quanta 103, 369 (1997)
Keywords: A3 Journal article; Condensed Matter Theory (CMT)
Times cited: 21
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“Periodic microtwinning as a possible mechanism for the accommodation of the epitaxial film-substrate mismatch in the La1-xSrxMnO3/SrTiO3 system”. Lebedev OI, Van Tendeloo G, Amelinckx S, Razavi F, Habermeier H-U, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 81, 797 (2001)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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“Structure and microstructure of La1-xSrxMnO3 (x=0.16) films grown on a SrTiO3(110) substrate”. Lebedev OI, Verbeeck J, Van Tendeloo G, Amelinckx S, Ravazi FS, Habermeier H-U, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 81, 2865 (2001). http://doi.org/10.1080/01418610108217170
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.136
Times cited: 12
DOI: 10.1080/01418610108217170
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“A study of the domain structure of epitaxial (La-Ca)MnO3 films by high-resolution transmission electron microscopy”. Lebedev OI, Van Tendeloo G, Abakumov AM, Amelinckx S, Leibold B, Habermeier H-U, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 79, 1461 (1999). http://doi.org/10.1080/01418619908210372
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 27
DOI: 10.1080/01418619908210372
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“Substrate-induced proximity effect in superconducting niobium nanofilms”. Rezvani SJ, Perali A, Fretto M, De Leo N, Flammia L, Milošević, M, Nannarone S, Pinto N, Condensed Matter 4, 4 (2018). http://doi.org/10.3390/CONDMAT4010004
Abstract: Structural and superconducting properties of high-quality niobium nanofilms with different thicknesses are investigated on silicon oxide (SiO2) and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, especially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects. The detailed investigation here provides reference characterizations and has direct and important implications for the fabrication of superconducting devices based on Nb nanofilms.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 3
DOI: 10.3390/CONDMAT4010004
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“Transition metal dichalcogenides as strategy for high temperature electron-hole superfluidity”. Conti S, Neilson D, Peeters FM, Perali A, Condensed Matter 5, 22 (2020). http://doi.org/10.3390/CONDMAT5010022
Abstract: Condensation of spatially indirect excitons, with the electrons and holes confined in two separate layers, has recently been observed in two different double layer heterostructures. High transition temperatures were reported in a double Transition Metal Dichalcogenide (TMD) monolayer system. We briefly review electron-hole double layer systems that have been proposed as candidates for this interesting phenomenon. We investigate the double TMD system WSe2/hBN/MoSe2, using a mean-field approach that includes multiband effects due to the spin-orbit coupling and self-consistent screening of the electron-hole Coulomb interaction. We demonstrate that the transition temperature observed in the double TMD monolayers, which is remarkably high relative to the other systems, is the result of (i) the large electron and hole effective masses in TMDs, (ii) the large TMD band gaps, and (iii) the presence of multiple superfluid condensates in the TMD system. The net effect is that the superfluidity is strong across a wide range of densities, which leads to high transition temperatures that extend as high as TBKT=150 K.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 13
DOI: 10.3390/CONDMAT5010022
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“Study of rechargeable batteries using advanced spectroscopic and computational techniques”. Barbiellini B, Kuriplach J, Saniz R, Condensed Matter 6, 26 (2021). http://doi.org/10.3390/CONDMAT6030026
Abstract: Improving the efficiency and longevity of energy storage systems based on Li- and Na-ion rechargeable batteries presents a major challenge. The main problems are essentially capacity loss and limited cyclability. These effects are due to a hierarchy of factors spanning various length and time scales, interconnected in a complex manner. As a consequence, and in spite of several decades of research, a proper understanding of the ageing process has remained somewhat elusive. In recent years, however, combinations of advanced spectroscopy techniques and first-principles simulations have been applied with success to tackle this problem. In this Special Issue, we are pleased to present a selection of articles that, by precisely applying these methods, unravel key aspects of the reduction-oxidation reaction and intercalation processes. Furthermore, the approaches presented provide improvements to standard diagnostic and characterisation techniques, enabling the detection of possible Li-ion flow bottlenecks causing the degradation of capacity and cyclability.
Keywords: Editorial; Electron microscopy for materials research (EMAT)
DOI: 10.3390/CONDMAT6030026
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“Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems”. Conti S, Perali A, Peeters FM, Neilson D, Condensed Matter 6, 14 (2021). http://doi.org/10.3390/CONDMAT6020014
Abstract: Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 1
DOI: 10.3390/CONDMAT6020014
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“Acoustical polarons and bipolarons in two dimensions”. Farias GA, da Costa WB, Peeters FM, Physical review : B : condensed matter and materials physics 54, 12835 (1996). http://doi.org/10.1103/PhysRevB.54.12835
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 30
DOI: 10.1103/PhysRevB.54.12835
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“Asymptotic expansions in the path integral approach to the bipolaron problem”. Smondyrev MA, Devreese JT, Peeters FM, Physical review : B : condensed matter and materials physics 51, 15008 (1995). http://doi.org/10.1103/PhysRevB.51.15008
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 32
DOI: 10.1103/PhysRevB.51.15008
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“Binding energy of the barbell exciton”. Peeters FM, Golub JE, Physical review : B : condensed matter and materials physics 43, 5159 (1991)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 27
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“Classical two-dimensional atoms”. Peeters FM, Schweigert VA, Bedanov VM, Physica: B : condensed matter 710, 237 (1995). http://doi.org/10.1016/0921-4526(95)00038-B
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.319
Times cited: 31
DOI: 10.1016/0921-4526(95)00038-B
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“Composite fermions in tilded magnetic fields and the effect of the confining potential width on the composite fermion effective mass”. Gee PJ, Peeters FM, Singleton J, Uji S, Aoki H, Foxon CTB, Harris JJ, Physical review : B : condensed matter and materials physics 54, R14313 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 15
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“Cyclotron-resonance of 2D electrons at Si-δ-doped InSb layers grown on GaAs”. van Bockstal L, Mahy M, de Keyser A, Hoeks W, Herlach F, Peeters FM, van de Graaf W, Borghs G, Physica: B : condensed matter 211, 455 (1995)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.319
Times cited: 2
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“Cyclotron-resonance of 2d electrons at Si-\delta-doped InSb layers grown on GaAs”. Van Bockstal L, Mahy M, de Keyser A, Hoeks W, Herlach F, Peeters FM, Van de Graaf W, Borghs G, Physica: B : condensed matter 211, 466 (1995). http://doi.org/10.1016/0921-4526(94)01095-I
Abstract: Cyclotron resonance (CR) of the electrons accumulated at sheets with heavy Si doping in InSb were observed using far infrared radiation. The angular dependence of the CR follows closely the 1/cos theta behaviour with some small deviations at high angles attributed to coupling between subbands. From the effective mass of the lowest subband, which is found to be 0.027m(o), the bottom of the lowest subband was determined to lie 125 meV below the Fermi level.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.319
Times cited: 2
DOI: 10.1016/0921-4526(94)01095-I
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